SCHEMBL4915463

SCHEMBL4915463

CCN(CC1CCCO1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
OXTR P30559 4/20 0.39
AVPR1A P37288 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4915454 1.00 KMT2A (0.41) KMT2AMEN1NPC1RAB9AOXTR
SCHEMBL3662388 0.84 HTR2C (0.40) KMT2AMEN1NPC1OXTRALDH1A1
SCHEMBL226527 0.84 HTR2C (0.40) KMT2AMEN1NPC1OXTRALDH1A1
SCHEMBL226255 0.84 HTR2C (0.40) KMT2AMEN1NPC1OXTRALDH1A1
SCHEMBL7494216 0.82 ALDH1A1 (0.40) KMT2AOXTRAVPR1AALDH1A1LMNA
SCHEMBL22733859 0.81 CTSD (0.35) KMT2AMEN1ALDH1A1LMNA
SCHEMBL12184848 0.80 LMNA (0.41) KMT2AMEN1OXTRALDH1A1LMNA
SCHEMBL24854873 0.79 ADRB2 (0.36)
SCHEMBL27308751 0.79 MEN1 (0.36) KMT2AMEN1OXTRAVPR1AALDH1A1
SCHEMBL14640493 0.79 POLB (0.53) KMT2AMEN1NPC1RAB9AOXTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 KMT2A 2465/4885MEN1 1863/4885NPC1 3198/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.